smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)CC(=NNC(=O)[O-])CN1Cc1ccccc1	ZINC000833554954	604943435	/nfs/dbraw/zinc/94/34/35/604943435.db2.gz	CXHXKVRHBFQNBV-UHFFFAOYSA-N	-1	1	261.325	2.295	20	50		CEGDMM
O=C([O-])NNC(=O)c1csc(-c2ccc(F)c(F)c2)n1	ZINC000834251947	605774134	/nfs/dbraw/zinc/77/41/34/605774134.db2.gz	WNAQOIWDKHMPAH-UHFFFAOYSA-N	-1	1	299.258	2.001	20	50		CEGDMM
O=C([O-])NNC(=O)c1cc(Cl)c2ccccc2c1O	ZINC000832748616	603472057	/nfs/dbraw/zinc/47/20/57/603472057.db2.gz	NMODDSOFDYGVRR-UHFFFAOYSA-N	-1	1	280.667	2.111	20	50		CEGDMM
O=C([O-])NNC(=O)c1cnc(-c2ccc(F)c(F)c2)s1	ZINC000834251387	605774066	/nfs/dbraw/zinc/77/40/66/605774066.db2.gz	OFIVVDPVWHISAP-UHFFFAOYSA-N	-1	1	299.258	2.001	20	50		CEGDMM
CC(=NNC(=O)[O-])c1cc(Br)c(F)cc1O	ZINC000833385476	604870530	/nfs/dbraw/zinc/87/05/30/604870530.db2.gz	ZXIJNILYCBVJQG-UHFFFAOYSA-N	-1	1	291.076	2.285	20	50		CEGDMM
O=C([O-])NNC(=O)c1csc(-c2ccc(Cl)cc2)n1	ZINC000832748730	605188902	/nfs/dbraw/zinc/18/89/02/605188902.db2.gz	RWNHUPJJOINQQI-UHFFFAOYSA-N	-1	1	297.723	2.376	20	50		CEGDMM
Cc1ccc(-c2nc(C(=O)NNC(=O)[O-])cs2)cc1	ZINC000830154984	605186293	/nfs/dbraw/zinc/18/62/93/605186293.db2.gz	LMIYTHYSEYVZJL-UHFFFAOYSA-N	-1	1	277.305	2.031	20	50		CEGDMM
CCc1ccc(-c2ccc(C(=O)NNC(=O)[O-])o2)cc1	ZINC000827569352	603218187	/nfs/dbraw/zinc/21/81/87/603218187.db2.gz	MNBNQGMKCPECHU-UHFFFAOYSA-N	-1	1	274.276	2.421	20	50		CEGDMM
CC(=NNC(=O)[O-])c1cc(Br)cc(F)c1O	ZINC000833384368	605323713	/nfs/dbraw/zinc/32/37/13/605323713.db2.gz	HUZHKEJNKXNYMD-UHFFFAOYSA-N	-1	1	291.076	2.285	20	50		CEGDMM
N#CC(=Cc1ccc(-c2nnn[n-]2)o1)C(=O)C1CCCC1	ZINC000826378987	609372191	/nfs/dbraw/zinc/37/21/91/609372191.db2.gz	GKJCPAPDZIRXKW-JXMROGBWSA-N	-1	1	283.291	2.126	20	50		CEGDMM
N#CC(=Cc1ccc(-c2nn[n-]n2)o1)C(=O)C1CCCC1	ZINC000826378987	609372193	/nfs/dbraw/zinc/37/21/93/609372193.db2.gz	GKJCPAPDZIRXKW-JXMROGBWSA-N	-1	1	283.291	2.126	20	50		CEGDMM
N#CC(=Cc1ccc(-c2nnn[n-]2)o1)C(=O)C1CCCC1	ZINC000826378988	609372285	/nfs/dbraw/zinc/37/22/85/609372285.db2.gz	GKJCPAPDZIRXKW-YFHOEESVSA-N	-1	1	283.291	2.126	20	50		CEGDMM
N#CC(=Cc1ccc(-c2nn[n-]n2)o1)C(=O)C1CCCC1	ZINC000826378988	609372287	/nfs/dbraw/zinc/37/22/87/609372287.db2.gz	GKJCPAPDZIRXKW-YFHOEESVSA-N	-1	1	283.291	2.126	20	50		CEGDMM